5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide

C18H22N4O3S — CID 9454137

IUPAC5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cn1
InChIInChI=1S/C18H22N4O3S/c1-13-6-7-15(26(24,25)22-8-4-3-5-9-22)10-16(13)21-18(23)17-12-19-14(2)11-20-17/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyRDLDPMMASJWXPA-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.52
Rot. Bonds4

About 5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide

5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide (PubChem CID 9454137) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
PubChem CID9454137
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cn1
InChIInChI=1S/C18H22N4O3S/c1-13-6-7-15(26(24,25)22-8-4-3-5-9-22)10-16(13)21-18(23)17-12-19-14(2)11-20-17/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,23)
InChIKeyRDLDPMMASJWXPA-UHFFFAOYSA-N
XLogP2.52
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 51126593
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686156
methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
1,3-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30839985
5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 4878026
2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 18277170
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
1-methyl-3-(2-methyl-5-piperidin-1-ylsulfonylphenyl)thiourea
CID 7941210

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide (CID 9454137) is 5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cn1.
What is the InChIKey of 5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide?
The InChIKey is RDLDPMMASJWXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13-6-7-15(26(24,25)22-8-4-3-5-9-22)10-16(13)21-18(23)17-12-19-14(2)11-20-17/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,23).
What are the key properties of 5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide?
5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 9454137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).